Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSSSNGRGGAGGVGGSSEHPQYPKVVLVTGACRFLGGYLTARLAQNPLINRVIAVDAIAPSKDMLRRMGRAEFVRADIRNP-FIAKVIRNGEVDTVVHAAAASYAPR--SGGSAALKELNVMGAMQLFAACQKAPSVRRVVLKSTSEVYGSSPHD---PVMFTEDSSSRRPFSQGFPKDSLDIEGYVRALGRRRPDIAVTILRLANMIGPAMDTT------LSRYLA----G-PLVPTIFGRDARLQLLHEQDALGALERAAMAGKAGTFNIGADGILMLSQAIRRAGRIP-VPVPGFGVWALDSLRRANHYTELNREQFAYLSYGRVMDTTRMRVELGYQPKWTTVEAFDDYFRGRGLTPIIDPHRVRSWEGRAVGLAQRWGSRNPIPWSGLR |
| 2C5A Chain:A ((22-343)) | ---------------EQYWPSENLKISITGAGGFIASHIARRLKHEG--HYVIASDWKKNEHMTE-DMFCDEFHLVDLRVMENCLKVTE--GVDHVFNLAADMGGMGFIQSNHSVIMYNNTMISFNMIEAARIN-GIKRFFYASSACIYPEFKQLETTNVSLKESDAWPAEPQDAFGLEKLATEELCKHYNKD-FGIECRIGRFHNIYGPFGTWKGGREKAPAAFCRKAQTSTDRFEMWGDGLQTRSFTFIDECVEGVLRLTKSDFREPVNIGSDEMVSMNEMAEMVLSFEEKKLPIHHI-------------PG-----PEGVRGRNSDNNLIKEKLGWAPNMRLKEGLRITYFWIKEQIE-------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C5A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -157047 for 2681 contacts (-58.6/contact) +
2D Compatibility (PS) -32835 + (NN) -15884 + (LL) 2260
1D Compatibility (HY) -7600 + (ID) 2650
Total energy: -213756.0 ( -79.73 by residue)
QMean score : 0.434
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